1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone

C12H17NO2 — CID 104651487

IUPAC1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(C)C2)o1
InChIInChI=1S/C12H17NO2/c1-9-4-3-7-13(8-9)12-6-5-11(15-12)10(2)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyFAJZRKAPIGGCFK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.72
Rot. Bonds2

About 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone

1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone (PubChem CID 104651487) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone
PubChem CID104651487
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(C)C2)o1
InChIInChI=1S/C12H17NO2/c1-9-4-3-7-13(8-9)12-6-5-11(15-12)10(2)14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyFAJZRKAPIGGCFK-UHFFFAOYSA-N
XLogP2.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
CID 82375805
1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
CID 113437384
1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone
CID 104651846
1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
CID 103534376
5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid
CID 103196251
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
5-(2-methylpyrrolidin-1-yl)furan-2-carboxylic acid
CID 62206197
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
methyl 4-[(3S)-3-methylpiperidin-1-yl]benzoate
CID 90090006

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone (CID 104651487) is 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone is CC(=O)c1ccc(N2CCCC(C)C2)o1.
What is the InChIKey of 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone?
The InChIKey is FAJZRKAPIGGCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-3-7-13(8-9)12-6-5-11(15-12)10(2)14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone?
1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 104651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).